Effects of the filler’s loading in features of poly(acrylic acid)/graphene oxide nanocomposites

Abstract

Poly(acrylic acid)(PAA)/Graphene oxide(GO) nanocomposites of two different loadings in GO were examined using molecular dynamics simulations. It was found that increasing of the GO loading imparted a progressively higher degree of slowing down of local dynamics, particularly near the PAA/GO interface. As the GO content increased the intermolecular PAA hydrogen bonding decreased, but neither the PAA intramolecular nor the PAA/GO hydrogen bond formation was affected. Global chain dynamics became slower as the GO concentration increased due to the effective confinement of the polymer chains. Increase of the GO loading affected the temperature dependence of both, local and global polymer dynamics.